#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie9 n LYS 2 N 0.00 2.33 -3.58 -1.24 5.02 0.64 -4.91 118.16 116.43 3ie9 n LYS 2 Ca 0.00 -1.86 -0.11 0.00 -2.02 0.00 0.00 58.31 54.32 3ie9 n LYS 2 Cb 0.00 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 3ie9 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ie9 s ALA 3 N -0.99 -1.10 0.25 7.82 0.00 -1.26 -1.42 121.76 125.06 3ie9 s ALA 3 Ca 0.21 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.34 3ie9 s ALA 3 Cb 0.12 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 3ie9 s ALA 3 CO 0.16 -0.68 -0.13 0.95 0.00 0.00 0.00 175.76 176.06 3ie9 s THR 4 N -3.79 1.92 -0.32 0.00 -4.23 -0.08 -4.94 115.64 104.20 3ie9 s THR 4 Ca 0.03 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.26 3ie9 s THR 4 Cb 0.01 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.65 3ie9 s THR 4 CO -0.12 -0.45 0.06 -0.63 -0.54 0.00 0.00 174.62 172.94 3ie9 s ILE 5 N -2.85 3.38 0.20 2.99 1.01 -1.26 -1.13 121.20 123.55 3ie9 s ILE 5 Ca 0.27 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3ie9 s ILE 5 Cb -0.00 -2.94 0.14 0.00 0.01 0.00 0.00 42.46 39.66 3ie9 s ILE 5 CO 0.11 -0.16 1.86 -0.65 0.00 0.00 0.00 174.94 176.10 3ie9 h PRO 6 N 8.11 0.96 -3.43 2.79 0.11 -1.96 -3.42 132.00 135.17 3ie9 h PRO 6 Ca -0.22 -0.07 -0.40 0.00 0.11 0.00 0.00 66.00 65.42 3ie9 h PRO 6 Cb 1.07 -0.21 -0.39 0.00 0.11 0.00 0.00 31.00 31.58 3ie9 h PRO 6 CO 0.57 0.66 -0.75 0.45 -0.21 0.00 0.00 178.00 178.72 3ie9 s SER 7 N -5.90 1.45 0.45 -2.05 0.15 -1.26 -5.03 113.70 101.51 3ie9 s SER 7 Ca -0.13 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.64 3ie9 s SER 7 Cb 0.15 -0.26 1.05 0.00 -1.71 0.00 0.00 66.02 65.25 3ie9 s SER 7 CO 0.78 -0.24 1.96 -0.33 1.20 0.00 0.00 173.24 176.61 3ie9 h GLU 8 N 8.39 0.00 -6.22 5.44 4.39 -1.96 -3.43 114.58 121.19 3ie9 h GLU 8 Ca -0.15 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.00 3ie9 h GLU 8 Cb 1.12 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 3ie9 h GLU 8 CO 0.20 0.22 -0.57 -1.12 -1.16 0.00 0.00 179.01 176.58 3ie9 s SER 9 N -6.70 5.26 0.74 1.42 0.01 -1.26 -4.66 113.70 108.52 3ie9 s SER 9 Ca -0.03 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.79 3ie9 s SER 9 Cb 0.14 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.14 3ie9 s SER 9 CO 0.67 0.02 1.16 -2.84 0.41 0.00 0.00 173.24 172.66 3ie9 s PRO 10 N -3.47 2.18 0.30 12.44 0.02 -1.26 -4.94 135.00 140.26 3ie9 s PRO 10 Ca 0.31 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.93 3ie9 s PRO 10 Cb -0.08 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3ie9 s PRO 10 CO 0.23 -1.76 0.14 -0.59 -0.33 0.00 0.00 177.00 174.68 3ie9 s PHE 11 N -2.26 1.59 0.12 6.54 -0.71 -0.54 -4.90 117.98 117.81 3ie9 s PHE 11 Ca 0.70 -1.31 -0.31 0.00 -1.04 0.00 0.00 56.93 54.97 3ie9 s PHE 11 Cb -0.25 -0.89 -0.08 0.00 -1.21 0.00 0.00 43.02 40.59 3ie9 s PHE 11 CO 0.47 -0.45 1.45 0.00 -1.34 0.00 0.00 175.22 175.35 3ie9 s ALA 12 N -3.63 3.65 0.55 1.99 0.00 -1.26 -0.05 121.76 123.01 3ie9 s ALA 12 Ca 0.36 1.18 0.23 0.00 0.00 0.00 0.00 51.96 53.73 3ie9 s ALA 12 Cb 0.06 -3.57 1.54 0.00 0.00 0.00 0.00 23.12 21.15 3ie9 s ALA 12 CO 0.16 -0.69 2.20 0.00 0.00 0.00 0.00 175.76 177.43 3ie9 h ALA 13 N 6.89 1.75 0.00 0.00 0.00 -1.51 -1.44 119.26 124.94 3ie9 h ALA 13 Ca -0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ie9 h ALA 13 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ie9 h ALA 13 CO 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 179.25 180.13 3ie9 h ALA 14 N 1.99 1.04 0.00 0.00 0.00 -1.90 -1.78 119.26 118.61 3ie9 h ALA 14 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ie9 h ALA 14 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ie9 h ALA 14 CO 0.00 0.01 0.00 0.93 0.00 0.00 0.00 179.25 180.19 3ie9 h GLU 15 N 0.00 0.00 -6.68 0.00 5.08 -1.64 -3.45 114.58 107.89 3ie9 h GLU 15 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3ie9 h GLU 15 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 3ie9 h GLU 15 CO 0.00 0.00 0.53 0.08 -1.00 0.00 0.00 179.01 178.62 3ie9 s VAL 16 N -3.36 3.65 0.48 3.13 1.01 -0.67 -5.01 120.40 119.63 3ie9 s VAL 16 Ca 0.05 1.42 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 3ie9 s VAL 16 Cb 0.08 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 3ie9 s VAL 16 CO 0.57 0.24 1.04 0.00 0.00 0.00 0.00 175.10 176.95 3ie9 s ALA 17 N -0.22 2.88 0.39 5.51 0.00 -1.26 -5.00 121.76 124.06 3ie9 s ALA 17 Ca 0.51 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 3ie9 s ALA 17 Cb -0.32 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3ie9 s ALA 17 CO 0.37 -0.30 1.42 -0.51 0.00 0.00 0.00 175.76 176.74 3ie9 s ASP 18 N -1.96 6.28 0.00 0.00 1.01 -1.26 -2.33 116.67 118.41 3ie9 s ASP 18 Ca 0.67 2.92 0.00 0.00 0.71 0.00 0.00 52.55 56.85 3ie9 s ASP 18 Cb -0.17 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.11 3ie9 s ASP 18 CO 0.20 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.29 3ie9 n GLY 19 N 0.56 1.78 3.76 0.21 0.00 -1.26 -5.02 105.19 105.23 3ie9 n GLY 19 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3ie9 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie9 s ALA 20 N -3.34 2.50 -0.23 4.61 0.00 -0.99 -4.95 121.76 119.37 3ie9 s ALA 20 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3ie9 s ALA 20 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3ie9 s ALA 20 CO 0.00 -1.20 1.49 0.42 0.00 0.00 0.00 175.76 176.47 3ie9 s ILE 21 N -1.98 3.88 -0.04 0.00 1.01 -1.26 -4.99 121.20 117.82 3ie9 s ILE 21 Ca 0.72 1.01 0.04 0.00 0.00 0.00 0.00 60.65 62.42 3ie9 s ILE 21 Cb -0.25 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 3ie9 s ILE 21 CO 0.36 -0.32 -0.17 -0.69 0.00 0.00 0.00 174.94 174.12 3ie9 s VAL 22 N 4.71 1.45 -0.27 2.92 1.01 -1.26 -1.27 120.40 127.70 3ie9 s VAL 22 Ca 0.65 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 3ie9 s VAL 22 Cb -0.23 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3ie9 s VAL 22 CO 0.26 0.42 -0.01 -0.69 0.00 0.00 0.00 175.10 175.07 3ie9 s VAL 23 N 0.02 3.19 0.20 2.92 1.01 0.62 -4.91 120.40 123.45 3ie9 s VAL 23 Ca -0.04 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 3ie9 s VAL 23 Cb -0.11 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 3ie9 s VAL 23 CO 0.02 0.13 0.76 -1.81 0.00 0.00 0.00 175.10 174.20 3ie9 s ASP 24 N 1.36 7.25 -0.16 3.32 1.01 -1.26 -1.08 116.67 127.11 3ie9 s ASP 24 Ca 0.00 1.56 -0.03 0.00 0.71 0.00 0.00 52.55 54.80 3ie9 s ASP 24 Cb -0.17 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 3ie9 s ASP 24 CO -0.02 0.12 -0.07 -0.63 0.21 0.00 0.00 175.17 174.78 3ie9 s ILE 25 N -1.33 3.50 -0.17 0.77 1.01 -0.06 0.56 121.20 125.47 3ie9 s ILE 25 Ca 0.39 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 3ie9 s ILE 25 Cb -0.20 -2.52 0.12 0.00 0.01 0.00 0.00 42.46 39.86 3ie9 s ILE 25 CO 0.24 0.49 0.95 0.00 0.00 0.00 0.00 174.94 176.61 3ie9 s ALA 26 N 0.60 -1.91 -1.63 9.38 0.00 -0.61 -1.37 121.76 126.21 3ie9 s ALA 26 Ca -0.04 1.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 3ie9 s ALA 26 Cb -0.15 -0.78 0.13 0.00 0.00 0.00 0.00 23.12 22.32 3ie9 s ALA 26 CO 0.03 -0.30 0.84 1.63 0.00 0.00 0.00 175.76 177.95 3ie9 n LYS 27 N 1.14 -3.97 -3.20 0.00 4.76 -1.26 -0.64 118.16 114.99 3ie9 n LYS 27 Ca -0.12 0.45 -0.23 0.00 -2.87 0.00 0.00 58.31 55.54 3ie9 n LYS 27 Cb 0.57 -5.21 0.03 0.00 -1.84 0.00 0.00 35.03 28.59 3ie9 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3ie9 n MET 28 N -4.49 -5.09 -4.00 1.97 2.81 -1.26 -4.99 117.12 102.07 3ie9 n MET 28 Ca 0.05 0.81 -0.13 0.00 -1.81 0.00 0.00 57.70 56.62 3ie9 n MET 28 Cb 0.51 -5.68 -0.13 0.00 -0.71 0.00 0.00 33.22 27.21 3ie9 n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ie9 s LYS 29 N -5.88 0.23 -0.38 0.03 1.02 0.19 -4.78 119.74 110.16 3ie9 s LYS 29 Ca 0.38 -0.22 -0.28 0.00 0.02 0.00 0.00 55.97 55.87 3ie9 s LYS 29 Cb -0.17 -0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 3ie9 s LYS 29 CO 0.46 0.04 1.06 0.71 -0.92 0.00 0.00 175.35 176.70 3ie9 s TYR 30 N -0.37 3.03 -0.18 3.18 2.02 -1.26 -1.58 117.35 122.20 3ie9 s TYR 30 Ca -0.02 0.95 0.23 0.00 -0.37 0.00 0.00 57.07 57.86 3ie9 s TYR 30 Cb -0.03 -3.91 1.23 0.00 -0.40 0.00 0.00 41.96 38.85 3ie9 s TYR 30 CO -0.00 -0.93 1.71 0.93 -1.57 0.00 0.00 175.55 175.68 3ie9 h GLU 31 N 8.52 0.00 -2.86 -0.62 5.08 -0.22 -2.87 114.58 121.61 3ie9 h GLU 31 Ca -0.22 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.53 3ie9 h GLU 31 Cb 1.06 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.91 3ie9 h GLU 31 CO 1.05 0.00 -0.75 0.99 -1.00 0.00 0.00 179.01 179.30 3ie9 s THR 32 N -3.56 1.52 0.35 1.13 2.01 -1.26 -4.95 115.64 110.87 3ie9 s THR 32 Ca -0.02 -3.00 0.15 0.00 0.31 0.00 0.00 61.69 59.13 3ie9 s THR 32 Cb 0.07 -2.04 0.12 0.00 0.01 0.00 0.00 72.50 70.66 3ie9 s THR 32 CO 0.23 -1.00 1.84 1.55 -0.69 0.00 0.00 174.62 176.55 3ie9 h PRO 33 N 6.15 0.00 -4.18 4.92 0.13 -1.85 -3.35 132.00 133.82 3ie9 h PRO 33 Ca 0.09 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.58 3ie9 h PRO 33 Cb 0.88 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.61 3ie9 h PRO 33 CO 0.51 0.35 -0.71 -2.00 -0.23 0.00 0.00 178.00 175.92 3ie9 s GLU 34 N -4.10 1.46 -0.17 0.86 2.12 -1.26 0.27 118.70 117.87 3ie9 s GLU 34 Ca -0.02 -1.92 -0.13 0.00 0.36 0.00 0.00 54.97 53.25 3ie9 s GLU 34 Cb 0.14 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 3ie9 s GLU 34 CO 0.71 -0.99 0.28 -1.17 -0.54 0.00 0.00 175.26 173.54 3ie9 s LEU 35 N 0.73 4.22 -0.24 2.70 2.96 -0.37 -4.96 118.68 123.72 3ie9 s LEU 35 Ca 0.12 0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3ie9 s LEU 35 Cb -0.20 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 3ie9 s LEU 35 CO -0.08 0.09 0.09 -1.00 -1.32 0.00 0.00 176.35 174.12 3ie9 s HIS 36 N 0.59 3.14 0.31 5.38 3.76 -1.26 0.07 115.29 127.28 3ie9 s HIS 36 Ca 0.15 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.87 3ie9 s HIS 36 Cb -0.13 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 3ie9 s HIS 36 CO 0.04 -0.23 0.18 0.14 -0.85 0.00 0.00 174.74 174.02 3ie9 s VAL 37 N 1.42 0.25 0.27 -0.90 -7.23 -0.07 -4.98 120.40 109.15 3ie9 s VAL 37 Ca 0.06 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 3ie9 s VAL 37 Cb -0.15 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3ie9 s VAL 37 CO 0.05 0.00 0.05 -0.54 -0.31 0.00 0.00 175.10 174.34 3ie9 s LYS 38 N -3.74 2.44 0.19 4.82 1.02 -1.26 -1.54 119.74 121.66 3ie9 s LYS 38 Ca 0.36 -1.34 -0.33 0.00 0.02 0.00 0.00 55.97 54.68 3ie9 s LYS 38 Cb 0.04 -2.25 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 3ie9 s LYS 38 CO 0.19 0.36 1.45 0.28 -0.92 0.00 0.00 175.35 176.72 3ie9 n VAL 39 N -0.97 0.49 -0.03 3.17 0.31 -1.26 -1.17 118.33 118.88 3ie9 n VAL 39 Ca -0.07 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3ie9 n VAL 39 Cb 0.59 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3ie9 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie9 n GLY 40 N 2.67 1.06 3.76 2.92 0.00 0.97 -5.01 105.19 111.56 3ie9 n GLY 40 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ie9 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie9 s ASP 41 N -2.75 7.08 -0.24 1.61 1.01 -0.31 -4.78 116.67 118.29 3ie9 s ASP 41 Ca 0.00 2.38 -0.10 0.00 0.71 0.00 0.00 52.55 55.54 3ie9 s ASP 41 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3ie9 s ASP 41 CO 0.00 -0.28 0.14 -0.89 0.21 0.00 0.00 175.17 174.34 3ie9 s THR 42 N -1.18 5.13 -0.14 -1.27 2.01 -1.26 -1.92 115.64 117.01 3ie9 s THR 42 Ca 0.47 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 3ie9 s THR 42 Cb -0.34 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3ie9 s THR 42 CO 0.44 0.35 0.05 -0.69 -0.69 0.00 0.00 174.62 174.07 3ie9 s VAL 43 N 1.15 4.69 -0.14 3.82 1.01 0.12 -4.27 120.40 126.79 3ie9 s VAL 43 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3ie9 s VAL 43 Cb -0.14 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3ie9 s VAL 43 CO 0.05 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 3ie9 s THR 44 N -0.27 1.85 -0.04 3.92 2.01 -0.39 -0.66 115.64 122.04 3ie9 s THR 44 Ca 0.08 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 3ie9 s THR 44 Cb -0.12 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 3ie9 s THR 44 CO 0.02 0.51 0.44 0.26 -0.69 0.00 0.00 174.62 175.15 3ie9 s TRP 45 N 1.02 3.65 -0.13 4.92 0.51 0.52 -0.28 118.94 129.15 3ie9 s TRP 45 Ca -0.04 0.96 0.01 0.00 -2.12 0.00 0.00 56.10 54.92 3ie9 s TRP 45 Cb -0.15 -2.40 0.02 0.00 -0.81 0.00 0.00 33.47 30.13 3ie9 s TRP 45 CO -0.05 0.46 -0.15 0.42 -0.51 0.00 0.00 176.95 177.12 3ie9 s ILE 46 N -0.43 1.58 -0.24 2.03 1.01 -0.24 -0.95 121.20 123.96 3ie9 s ILE 46 Ca 0.24 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 3ie9 s ILE 46 Cb -0.16 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 3ie9 s ILE 46 CO 0.12 0.46 0.88 0.21 0.00 0.00 0.00 174.94 176.61 3ie9 s ASN 47 N 1.17 6.91 0.00 3.58 2.47 -0.49 -0.88 114.94 127.69 3ie9 s ASN 47 Ca -0.02 1.13 0.25 0.00 0.42 0.00 0.00 52.86 54.64 3ie9 s ASN 47 Cb -0.14 -2.46 0.36 0.00 -1.45 0.00 0.00 41.25 37.56 3ie9 s ASN 47 CO -0.05 -0.55 1.34 0.54 -3.72 0.00 0.00 177.10 174.66 3ie9 n ARG 48 N 6.06 1.89 -4.44 0.43 5.12 -0.47 0.58 116.66 125.82 3ie9 n ARG 48 Ca 0.07 -1.47 -0.21 0.00 -1.93 0.00 0.00 57.85 54.31 3ie9 n ARG 48 Cb 0.47 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 3ie9 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3ie9 s GLU 49 N -2.12 1.61 0.43 5.56 -1.05 -1.26 -4.73 118.70 117.14 3ie9 s GLU 49 Ca 0.28 -1.87 0.23 0.00 -0.15 0.00 0.00 54.97 53.46 3ie9 s GLU 49 Cb 0.20 -0.94 0.82 0.00 -0.44 0.00 0.00 34.13 33.77 3ie9 s GLU 49 CO 0.37 -0.12 1.78 0.00 0.95 0.00 0.00 175.26 178.24 3ie9 h ALA 50 N 2.17 0.98 -2.28 -0.84 0.00 -1.94 -3.18 119.26 114.16 3ie9 h ALA 50 Ca -0.40 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 53.74 3ie9 h ALA 50 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ie9 h ALA 50 CO 0.69 0.29 0.91 1.41 0.00 0.00 0.00 179.25 182.55 3ie9 s MET 51 N -3.55 4.25 0.45 0.00 0.00 -1.26 -4.64 119.30 114.56 3ie9 s MET 51 Ca 0.01 1.93 -0.24 0.00 0.00 0.00 0.00 55.69 57.39 3ie9 s MET 51 Cb 0.10 -3.72 -0.07 0.00 0.00 0.00 0.00 34.83 31.13 3ie9 s MET 51 CO 0.65 -0.67 1.24 -2.14 0.00 0.00 0.00 175.02 174.10 3ie9 s PRO 52 N 3.07 3.73 0.09 4.11 0.02 -1.26 -4.83 135.00 139.93 3ie9 s PRO 52 Ca 0.63 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3ie9 s PRO 52 Cb -0.29 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3ie9 s PRO 52 CO 0.24 -0.63 -0.07 -1.01 -0.33 0.00 0.00 177.00 175.20 3ie9 s HIS 53 N -1.40 0.84 0.27 6.54 3.76 -0.89 -4.90 115.29 119.51 3ie9 s HIS 53 Ca 0.62 -0.82 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 3ie9 s HIS 53 Cb -0.34 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 3ie9 s HIS 53 CO 0.42 -0.14 0.15 0.27 -0.85 0.00 0.00 174.74 174.59 3ie9 n ASN 54 N 0.29 0.35 -4.30 1.40 6.94 -1.26 0.18 115.26 118.85 3ie9 n ASN 54 Ca -0.14 -2.58 -0.31 0.00 -0.02 0.00 0.00 54.58 51.52 3ie9 n ASN 54 Cb 0.59 0.97 -0.16 0.00 -2.36 0.00 0.00 39.78 38.83 3ie9 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ie9 s VAL 55 N -2.82 2.08 -0.13 3.53 -7.23 -1.26 -4.19 120.40 110.39 3ie9 s VAL 55 Ca 0.22 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3ie9 s VAL 55 Cb 0.01 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.27 3ie9 s VAL 55 CO 0.15 0.58 0.02 -2.28 -0.31 0.00 0.00 175.10 173.27 3ie9 s HIS 56 N -0.49 0.75 -0.27 2.82 5.04 0.12 -0.20 115.29 123.07 3ie9 s HIS 56 Ca 0.06 -0.44 -0.08 0.00 -1.54 0.00 0.00 55.06 53.06 3ie9 s HIS 56 Cb -0.11 -0.87 -0.03 0.00 0.04 0.00 0.00 32.58 31.61 3ie9 s HIS 56 CO 0.00 -0.45 0.10 -0.06 -2.34 0.00 0.00 174.74 171.99 3ie9 s PHE 57 N 1.95 3.12 0.82 3.88 0.40 0.07 -1.37 117.98 126.85 3ie9 s PHE 57 Ca 0.02 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 3ie9 s PHE 57 Cb -0.14 -2.27 0.09 0.00 0.51 0.00 0.00 43.02 41.20 3ie9 s PHE 57 CO -0.07 -0.37 1.10 0.14 0.70 0.00 0.00 175.22 176.73 3ie9 s VAL 58 N 1.62 2.90 0.16 -0.44 -7.23 -1.26 -0.42 120.40 115.74 3ie9 s VAL 58 Ca 0.06 0.29 -0.34 0.00 -1.81 0.00 0.00 61.98 60.18 3ie9 s VAL 58 Cb -0.16 -2.99 -0.14 0.00 0.56 0.00 0.00 36.38 33.65 3ie9 s VAL 58 CO 0.05 -0.38 1.54 0.00 -0.31 0.00 0.00 175.10 175.99 3ie9 n ALA 59 N -3.54 1.14 0.00 1.32 0.00 -1.26 -1.58 120.51 116.59 3ie9 n ALA 59 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ie9 n ALA 59 Cb 0.56 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3ie9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie9 n GLY 60 N 3.19 1.97 0.12 0.00 0.00 0.91 -4.91 105.19 106.46 3ie9 n GLY 60 Ca 0.16 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3ie9 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ie9 h VAL 61 N 0.00 1.02 -0.01 1.61 2.07 -1.62 -3.36 116.25 115.97 3ie9 h VAL 61 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3ie9 h VAL 61 Cb 0.00 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ie9 h VAL 61 CO 0.00 0.26 -0.17 0.18 0.02 0.00 0.00 177.57 177.86 3ie9 n LEU 62 N -4.90 1.32 0.00 2.57 4.77 -1.26 -4.90 117.00 114.59 3ie9 n LEU 62 Ca -0.08 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 3ie9 n LEU 62 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3ie9 n LEU 62 CO 0.28 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3ie9 n GLY 63 N 0.83 -1.79 0.25 -0.72 0.00 -1.26 -0.26 105.19 102.24 3ie9 n GLY 63 Ca 0.04 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 45.07 3ie9 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ie9 h GLU 64 N 0.00 0.00 -5.80 1.61 5.08 -1.95 0.26 114.58 113.78 3ie9 h GLU 64 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3ie9 h GLU 64 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3ie9 h GLU 64 CO 0.00 0.13 -0.45 0.00 -1.00 0.00 0.00 179.01 177.69 3ie9 s ALA 65 N -3.76 3.91 0.57 3.43 0.00 -1.26 -4.11 121.76 120.54 3ie9 s ALA 65 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.08 3ie9 s ALA 65 Cb 0.10 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 3ie9 s ALA 65 CO 0.59 0.69 1.29 0.00 0.00 0.00 0.00 175.76 178.33 3ie9 s ALA 66 N -1.25 2.66 -0.46 0.00 0.00 -1.26 -4.51 121.76 116.93 3ie9 s ALA 66 Ca 0.25 1.19 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 3ie9 s ALA 66 Cb -0.13 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.60 3ie9 s ALA 66 CO 0.15 -1.30 0.31 -1.17 0.00 0.00 0.00 175.76 173.75 3ie9 s LEU 67 N -3.81 5.56 -0.47 0.00 0.20 0.44 -4.91 118.68 115.69 3ie9 s LEU 67 Ca 0.75 -2.01 -0.17 0.00 0.69 0.00 0.00 54.13 53.39 3ie9 s LEU 67 Cb -0.36 -1.95 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 3ie9 s LEU 67 CO 0.41 -0.63 0.49 -0.54 -0.29 0.00 0.00 176.35 175.79 3ie9 s LYS 68 N 1.21 3.06 0.80 1.98 1.02 -1.26 -0.75 119.74 125.79 3ie9 s LYS 68 Ca 0.07 -1.02 -0.10 0.00 0.02 0.00 0.00 55.97 54.94 3ie9 s LYS 68 Cb -0.25 -4.08 0.07 0.00 -0.52 0.00 0.00 37.83 33.06 3ie9 s LYS 68 CO -0.02 -1.06 1.10 0.20 -0.92 0.00 0.00 175.35 174.65 3ie9 s GLY 69 N 2.43 1.68 0.57 -3.33 0.00 0.72 -5.00 107.32 104.38 3ie9 s GLY 69 Ca 0.10 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 3ie9 s GLY 69 CO 0.10 0.68 1.10 2.56 0.00 0.00 0.00 173.10 177.55 3ie9 s PRO 70 N -4.86 3.29 0.13 2.90 0.04 -1.26 -4.62 135.00 130.63 3ie9 s PRO 70 Ca 0.62 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 3ie9 s PRO 70 Cb -0.18 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3ie9 s PRO 70 CO 0.56 -0.87 1.54 -1.64 0.04 0.00 0.00 177.00 176.64 3ie9 s MET 71 N -3.55 4.23 -0.23 4.56 -1.94 -1.26 -4.53 119.30 116.58 3ie9 s MET 71 Ca 0.69 2.29 -0.10 0.00 -1.71 0.00 0.00 55.69 56.87 3ie9 s MET 71 Cb -0.21 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.32 3ie9 s MET 71 CO 0.30 -0.59 0.13 -1.64 -0.01 0.00 0.00 175.02 173.21 3ie9 s MET 72 N 1.43 4.04 0.90 2.03 -1.94 0.13 -4.86 119.30 121.03 3ie9 s MET 72 Ca 0.69 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 54.26 3ie9 s MET 72 Cb -0.41 -3.45 0.18 0.00 2.01 0.00 0.00 34.83 33.16 3ie9 s MET 72 CO 0.31 0.11 1.24 0.15 -0.01 0.00 0.00 175.02 176.82 3ie9 s LYS 73 N 0.89 0.91 0.29 2.03 1.02 -1.26 -2.10 119.74 121.52 3ie9 s LYS 73 Ca 0.07 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 3ie9 s LYS 73 Cb -0.13 -1.97 -0.12 0.00 -0.52 0.00 0.00 37.83 35.09 3ie9 s LYS 73 CO 0.03 -2.16 1.53 1.17 -0.92 0.00 0.00 175.35 175.00 3ie9 n LYS 74 N -3.53 2.52 -2.09 1.68 4.81 -1.20 -1.39 118.16 118.96 3ie9 n LYS 74 Ca 0.15 0.89 -0.21 0.00 -0.87 0.00 0.00 58.31 58.28 3ie9 n LYS 74 Cb 0.60 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 3ie9 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3ie9 n GLU 75 N 1.96 -1.59 -4.07 1.64 -0.58 0.19 -4.99 120.64 113.20 3ie9 n GLU 75 Ca 0.09 1.10 -0.24 0.00 -0.42 0.00 0.00 57.16 57.69 3ie9 n GLU 75 Cb 0.36 -5.66 -0.04 0.00 -0.57 0.00 0.00 31.44 25.52 3ie9 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ie9 s GLN 76 N -4.55 3.01 0.13 3.49 -0.21 -0.48 -1.39 119.66 119.67 3ie9 s GLN 76 Ca 0.00 -0.91 0.02 0.00 0.02 0.00 0.00 55.36 54.49 3ie9 s GLN 76 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 3ie9 s GLN 76 CO 0.00 0.45 -0.04 0.00 -2.12 0.00 0.00 175.29 173.58 3ie9 s ALA 77 N -1.92 1.15 -0.18 6.09 0.00 0.93 -1.40 121.76 126.43 3ie9 s ALA 77 Ca 0.32 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 3ie9 s ALA 77 Cb -0.09 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.38 3ie9 s ALA 77 CO 0.25 -0.26 0.46 -0.47 0.00 0.00 0.00 175.76 175.74 3ie9 s TYR 78 N -3.62 -0.61 0.16 0.00 5.04 -0.12 -1.47 117.35 116.73 3ie9 s TYR 78 Ca 0.17 1.35 0.09 0.00 -2.44 0.00 0.00 57.07 56.24 3ie9 s TYR 78 Cb 0.05 0.27 -0.04 0.00 0.35 0.00 0.00 41.96 42.59 3ie9 s TYR 78 CO -0.01 -0.32 -0.14 -1.12 -1.34 0.00 0.00 175.55 172.62 3ie9 s SER 79 N 0.97 4.05 0.02 4.32 0.01 -1.26 -0.36 113.70 121.44 3ie9 s SER 79 Ca -0.06 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.61 3ie9 s SER 79 Cb -0.06 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 3ie9 s SER 79 CO -0.08 0.13 -0.04 -0.76 0.41 0.00 0.00 173.24 172.90 3ie9 s LEU 80 N -2.58 2.14 -0.21 2.44 1.43 0.16 -4.22 118.68 117.85 3ie9 s LEU 80 Ca 0.22 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3ie9 s LEU 80 Cb -0.09 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 3ie9 s LEU 80 CO 0.13 -0.12 0.01 -0.89 0.23 0.00 0.00 176.35 175.71 3ie9 s THR 81 N -0.81 4.02 -0.21 5.49 2.01 -0.28 0.15 115.64 126.01 3ie9 s THR 81 Ca -0.07 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.46 3ie9 s THR 81 Cb -0.06 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3ie9 s THR 81 CO -0.00 0.42 0.52 -0.36 -0.69 0.00 0.00 174.62 174.50 3ie9 s PHE 82 N 1.08 3.36 -1.34 4.92 0.40 -0.81 -0.90 117.98 124.70 3ie9 s PHE 82 Ca 0.03 0.76 0.11 0.00 -0.60 0.00 0.00 56.93 57.22 3ie9 s PHE 82 Cb -0.14 -2.68 0.09 0.00 0.51 0.00 0.00 43.02 40.80 3ie9 s PHE 82 CO 0.02 -0.13 0.86 0.25 0.70 0.00 0.00 175.22 176.91 3ie9 n THR 83 N 4.64 0.03 -3.75 0.64 -2.24 -0.51 -0.02 114.28 113.07 3ie9 n THR 83 Ca -0.05 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 3ie9 n THR 83 Cb 0.50 1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 69.81 3ie9 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ie9 s GLU 84 N -0.91 0.27 0.47 -0.78 2.12 -1.24 -4.75 118.70 113.89 3ie9 s GLU 84 Ca 0.13 0.46 -0.25 0.00 0.36 0.00 0.00 54.97 55.67 3ie9 s GLU 84 Cb 0.09 0.03 -0.08 0.00 0.26 0.00 0.00 34.13 34.43 3ie9 s GLU 84 CO 0.14 -0.10 1.43 0.00 -0.54 0.00 0.00 175.26 176.19 3ie9 s ALA 85 N 0.68 3.19 0.00 6.30 0.00 -1.26 -4.85 121.76 125.82 3ie9 s ALA 85 Ca -0.04 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3ie9 s ALA 85 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3ie9 s ALA 85 CO -0.04 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3ie9 n GLY 86 N 0.59 -1.42 3.01 0.00 0.00 0.55 -4.98 105.19 102.94 3ie9 n GLY 86 Ca 0.06 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 3ie9 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ie9 s THR 87 N -2.92 1.10 -0.21 2.61 2.01 -1.26 -0.09 115.64 116.89 3ie9 s THR 87 Ca 0.00 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 3ie9 s THR 87 Cb 0.00 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.55 3ie9 s THR 87 CO 0.00 0.35 0.01 -0.31 -0.69 0.00 0.00 174.62 173.98 3ie9 s TYR 88 N 0.79 1.47 0.40 4.92 2.02 0.16 -4.98 117.35 122.12 3ie9 s TYR 88 Ca -0.12 -1.15 -0.22 0.00 -0.37 0.00 0.00 57.07 55.21 3ie9 s TYR 88 Cb -0.15 -1.21 -0.11 0.00 -0.40 0.00 0.00 41.96 40.09 3ie9 s TYR 88 CO 0.02 -0.66 0.94 -0.51 -1.57 0.00 0.00 175.55 173.77 3ie9 s ASP 89 N 1.71 7.05 0.18 2.29 1.01 -1.26 -0.79 116.67 126.86 3ie9 s ASP 89 Ca -0.03 1.72 -0.09 0.00 0.71 0.00 0.00 52.55 54.87 3ie9 s ASP 89 Cb -0.18 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 3ie9 s ASP 89 CO -0.07 -0.27 0.29 -0.72 0.21 0.00 0.00 175.17 174.61 3ie9 s TYR 90 N -2.01 0.46 0.35 4.23 1.13 -0.55 -4.60 117.35 116.35 3ie9 s TYR 90 Ca 0.58 -0.81 -0.02 0.00 -1.41 0.00 0.00 57.07 55.42 3ie9 s TYR 90 Cb -0.12 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.68 3ie9 s TYR 90 CO 0.16 -0.75 0.48 -3.38 -2.51 0.00 0.00 175.55 169.56 3ie9 s HIS 91 N -3.99 1.10 -0.23 -3.49 -3.43 -0.47 -1.08 115.29 103.70 3ie9 s HIS 91 Ca 0.20 -1.32 -0.13 0.00 -0.80 0.00 0.00 55.06 53.01 3ie9 s HIS 91 Cb 0.03 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.05 3ie9 s HIS 91 CO 0.02 -1.15 0.27 0.00 -2.00 0.00 0.00 174.74 171.88 3ie9 h THR 93 N 5.05 0.32 0.00 0.00 2.02 -1.92 0.13 112.91 118.51 3ie9 h THR 93 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3ie9 h THR 93 Cb 1.17 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3ie9 h THR 93 CO 0.68 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.12 3ie9 h PRO 94 N -0.14 0.00 -2.37 6.66 0.13 -1.96 -3.37 132.00 130.95 3ie9 h PRO 94 Ca 0.22 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.76 3ie9 h PRO 94 Cb 0.49 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.21 3ie9 h PRO 94 CO -0.56 0.00 -0.77 0.72 -0.23 0.00 0.00 178.00 177.16 3ie9 n HIS 95 N -2.41 1.96 0.25 1.56 8.25 0.43 -4.96 115.22 120.31 3ie9 n HIS 95 Ca 0.05 -3.93 0.17 0.00 -0.26 0.00 0.00 57.72 53.75 3ie9 n HIS 95 Cb 0.42 -0.41 0.92 0.00 1.12 0.00 0.00 29.99 32.03 3ie9 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ie9 h PRO 96 N 4.61 0.00 -0.00 -0.41 0.11 -1.68 0.13 132.00 134.74 3ie9 h PRO 96 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ie9 h PRO 96 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3ie9 h PRO 96 CO 0.66 0.00 -0.23 1.19 -0.21 0.00 0.00 178.00 179.40 3ie9 n PHE 97 N -2.68 0.00 -2.88 0.65 3.72 -1.26 -4.50 117.46 110.51 3ie9 n PHE 97 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3ie9 n PHE 97 Cb 0.06 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.35 3ie9 n PHE 97 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ie9 s LEU 98 N -2.62 4.18 0.06 4.37 2.96 0.45 -5.02 118.68 123.05 3ie9 s LEU 98 Ca 0.23 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3ie9 s LEU 98 Cb 0.19 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3ie9 s LEU 98 CO 0.54 -1.11 -0.03 0.00 -1.32 0.00 0.00 176.35 174.43 3ie9 s ARG 99 N 3.68 0.63 0.36 1.98 1.70 -1.26 -1.91 118.95 124.14 3ie9 s ARG 99 Ca 0.30 -1.23 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 3ie9 s ARG 99 Cb -0.12 0.16 0.02 0.00 -0.57 0.00 0.00 34.95 34.44 3ie9 s ARG 99 CO 0.21 -0.10 0.55 0.41 -1.08 0.00 0.00 175.30 175.29 3ie9 n GLY 100 N 0.10 1.87 3.15 3.88 0.00 -0.24 -4.72 105.19 109.24 3ie9 n GLY 100 Ca -0.14 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 3ie9 n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ie9 s LYS 101 N -2.67 0.31 -0.15 1.61 2.20 0.14 -1.49 119.74 119.69 3ie9 s LYS 101 Ca 0.27 0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 56.28 3ie9 s LYS 101 Cb -0.02 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 3ie9 s LYS 101 CO 0.19 -0.06 -0.13 0.08 -0.36 0.00 0.00 175.35 175.07 3ie9 s VAL 102 N 0.31 2.86 -0.27 4.02 1.01 0.03 -1.24 120.40 127.12 3ie9 s VAL 102 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3ie9 s VAL 102 Cb -0.03 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3ie9 s VAL 102 CO -0.01 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.96 3ie9 s VAL 103 N 0.73 3.90 -0.26 2.92 1.01 0.11 -0.67 120.40 128.15 3ie9 s VAL 103 Ca -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3ie9 s VAL 103 Cb -0.15 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.30 3ie9 s VAL 103 CO 0.01 0.19 -0.02 -0.69 0.00 0.00 0.00 175.10 174.59 3ie9 s VAL 104 N 1.51 3.27 -2.40 2.92 1.01 0.87 -0.89 120.40 126.68 3ie9 s VAL 104 Ca 0.04 -0.83 0.19 0.00 0.00 0.00 0.00 61.98 61.38 3ie9 s VAL 104 Cb -0.16 -2.63 0.15 0.00 0.00 0.00 0.00 36.38 33.74 3ie9 s VAL 104 CO 0.02 0.21 1.11 -1.84 0.00 0.00 0.00 175.10 174.59